Zobrazeno 1 - 10
of 81
pro vyhledávání: '"Jiří Kozelka"'
Publikováno v:
Chemistry - A European Journal. 24:5849-5859
In proteins, the indole side chain of tryptophan can interact with water molecules either in-plane, forming hydrogen bonds, or out-of-plane, with the water molecule contacting the aromatic π face. The latter interaction can be either of the lone pai
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6994c52419c952c3351fda5bcd55b823
https://doi.org/10.1002/chem.201705364
https://doi.org/10.1002/chem.201705364
Autor:
Filip Šebesta, Séverine Jansen, Jaroslav V. Burda, Milan Zachrdla, Nad'a Špačková, Jiří Kozelka, Pavel Srb, Zuzana Trošanová, Lukáš Žídek
Publikováno v:
Physical Chemistry Chemical Physics. 20:12664-12677
Water molecules can interact with aromatic moieties using either their O-H bonds or their lone-pairs of electrons. In proteins, water-π interactions have been reported to occur with tryptophan and histidine residues, and dynamic exchange between O-H
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe2a24a239bd882421c0527eedc53e30
https://doi.org/10.1039/c7cp08623g
https://doi.org/10.1039/c7cp08623g
Autor:
Jiří Kozelka
Publikováno v:
European Biophysics Journal. 46:729-737
Lone pair-π interactions are now recognized as a supramolecular bond whose existence in biological systems is documented by a growing number of examples. They are commonly attributed to electrostatic forces. This review attempts to highlight some re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::960fc27dabb689a54b08231579ec7f70
https://doi.org/10.1007/s00249-017-1210-1
https://doi.org/10.1007/s00249-017-1210-1
Publikováno v:
Physical Chemistry Chemical Physics. 18:19472-19481
Lone-pair-π (lp-π) interactions have been suggested to stabilize DNA and protein structures, and to participate in the formation of DNA-protein complexes. To elucidate their physical origin, we have carried out a theoretical multi-approach analysis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f778a19d5011357acc8c5960a52ba00
https://doi.org/10.1039/c6cp01524g
https://doi.org/10.1039/c6cp01524g
Publikováno v:
Chemistry - A European Journal. 23
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc6b715a79a77bb40c95aa905dec3f98
https://doi.org/10.1002/chem.201781462
https://doi.org/10.1002/chem.201781462
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany). 23(14)
Anion-π interactions have been shown to stabilize flavoproteins and to regulate the redox potential of the flavin cofactor. They are commonly attributed to electrostatic forces. Herein we show that anion-flavin interactions can have a substantial ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17ad3c3a15a65600587213314de24815
https://pubmed.ncbi.nlm.nih.gov/28098402
https://pubmed.ncbi.nlm.nih.gov/28098402
Autor:
Jiří Kozelka, Jordan Monnet
Publikováno v:
Journal of Inorganic Biochemistry. 115:106-112
Molecular dynamics (MD) simulations of the single-stranded DNA trinucleotide TG*G*, with the G* guanines crosslinked by the antitumor drug cisplatin, were performed with explicit representation of the water as solvent. The purpose of the simulations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c73ac4fac1508ab32e895816c1f01dd
https://doi.org/10.1016/j.jinorgbio.2012.05.015
https://doi.org/10.1016/j.jinorgbio.2012.05.015
Publikováno v:
Journal of Inorganic Biochemistry. 108:69-79
Platinum diamine complexes are able to crosslink the guanines of d(GC)(2) dinucleotides within double-stranded DNA. The interstrand crosslink thus formed causes a bend of the double helix toward the minor groove and the helical sense changes locally
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d8ad9851dcdbcdeeee8ba44bdd370c3e
https://doi.org/10.1016/j.jinorgbio.2011.09.025
https://doi.org/10.1016/j.jinorgbio.2011.09.025
Publikováno v:
Angewandte Chemie. 122:7602-7605
We report here the first crystallographic evidence for a hydrogen-bonding-like interaction between a water molecule and a d8 metal ion, based on neutron diffraction. According to our HF and MP2 calculations, the interaction is almost entirely dispers
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e62189b70b9379e9e70e363390fa330a
https://doi.org/10.1002/ange.201001892
https://doi.org/10.1002/ange.201001892
Autor:
Jiří Kozelka
Publikováno v:
Inorganica Chimica Acta. 362:651-668
Experimental and theoretical studies related to the kinetics of interactions between cisplatin derivatives and DNA are critically reviewed. The reaction between DNA and cisplatin is a multistep reaction, consisting of aquation, electrostatic preassoc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c06de2394077ae94c444440ae129da3b
https://doi.org/10.1016/j.ica.2008.04.024
https://doi.org/10.1016/j.ica.2008.04.024